[5-bromanyl-2-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazol-4-yl]phenyl]-pyridin-2-yl-methanone

Systemtic Name: [5-bromanyl-2-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazol-4-yl]phenyl]-pyridin-2-yl-methanone Openeye Name: [5-bromo-2-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazol-4-yl]phenyl]-(2-pyridyl)methanone CAS Name: [5-bromo-2-[3-methyl-5-[(4-methyl-1-piperazinyl)methyl]-1,2,4-triazol-4-yl]phenyl]-(2-pyridinyl)methanone IUPAC Name: [5-bromo-2-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazol-4-yl]phenyl]-pyridin-2-ylmethanone Traditional Name: [5-bromo-2-[3-methyl-5-[(4-methylpiperazino)methyl]-1,2,4-triazol-4-yl]phenyl]-(2-pyridyl)methanone Formula: C21H23BrN6O MolecularWeight: 455.35092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=C(C=C(C=C2)Br)C(=O)C3=CC=CC=N3)CN4CCN(CC4)C

Isomeric SMILES

CC1=NN=C(N1C2=C(C=C(C=C2)Br)C(=O)C3=CC=CC=N3)CN4CCN(CC4)C

InChI

InChI=1S/C21H23BrN6O/c1-15-24-25-20(14-27-11-9-26(2)10-12-27)28(15)19-7-6-16(22)13-17(19)21(29)18-5-3-4-8-23-18/h3-8,13H,9-12,14H2,1-2H3